(2S)-2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2,4-dioxo-1H-pyrimidin-5-yl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2,4-diketo-1H-pyrimidine-5-carbonyl)amino]-4-mesyl-butyrate Formula: C10H12N3O7S- MolecularWeight: 318.28318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CNC(=O)NC1=O

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CNC(=O)NC1=O

InChI

InChI=1S/C10H13N3O7S/c1-21(19,20)3-2-6(9(16)17)12-7(14)5-4-11-10(18)13-8(5)15/h4,6H,2-3H2,1H3,(H,12,14)(H,16,17)(H2,11,13,15,18)/p-1/t6-/m0/s1